Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM50264224'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Mus musculus)	BDBM50264224 (CHEMBL4066792) Show SMILES CCCCCCCCc1ccc(cc1)C(=O)Nc1ccc(CC(=O)NO)cc1 Show InChI InChI=1S/C23H30N2O3/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)23(27)24-21-15-11-19(12-16-21)17-22(26)25-28/h9-16,28H,2-8,17H2,1H3,(H,24,27)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay				J Med Chem 61: 3697-3711 (2018) Article DOI: 10.1021/acs.jmedchem.8b00232 BindingDB Entry DOI: 10.7270/Q2Q52S3G
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